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Home > Other Heterocycles > 661463-37-2
661463-37-2 | 2-Oxa-3-azabicyclo[3.2.1]octane, 3-(phenylmethyl)-
CAS No: 661463-37-2 Catalog No: AG006JHO MDL No:
Product Description
Catalog Number:
AG006JHO
Chemical Name:
2-Oxa-3-azabicyclo[3.2.1]octane, 3-(phenylmethyl)-
CAS Number:
661463-37-2
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
3-benzyl-2-oxa-3-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C13H17NO/c1-2-4-11(5-3-1)9-14-10-12-6-7-13(8-12)15-14/h1-5,12-13H,6-10H2
InChI Key:
NMCROPLLLHRVFW-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CC2CCC(O1)C2
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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